8-methyl-2-propyl-N-[2-(1,2,4-triazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

C17H30N6O — CID 56906912

IUPAC8-methyl-2-propyl-N-[2-(1,2,4-triazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCCN1CC2(CCN(C)CC2)CC1C(=O)NCCn1cnnc1
InChIInChI=1S/C17H30N6O/c1-3-7-23-12-17(4-8-21(2)9-5-17)11-15(23)16(24)18-6-10-22-13-19-20-14-22/h13-15H,3-12H2,1-2H3,(H,18,24)
InChIKeyREBZJILDRHTPBP-UHFFFAOYSA-N
MW334.47 g/mol
LogP0.59
Rot. Bonds6

About 8-methyl-2-propyl-N-[2-(1,2,4-triazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

8-methyl-2-propyl-N-[2-(1,2,4-triazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 56906912) has the molecular formula C17H30N6O and a molecular weight of 334.47 g/mol. Its IUPAC name is 8-methyl-2-propyl-N-[2-(1,2,4-triazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name8-methyl-2-propyl-N-[2-(1,2,4-triazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID56906912
Molecular FormulaC17H30N6O
Molecular Weight334.47 g/mol
Exact Mass334.25
IUPAC Name8-methyl-2-propyl-N-[2-(1,2,4-triazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCCN1CC2(CCN(C)CC2)CC1C(=O)NCCn1cnnc1
InChIInChI=1S/C17H30N6O/c1-3-7-23-12-17(4-8-21(2)9-5-17)11-15(23)16(24)18-6-10-22-13-19-20-14-22/h13-15H,3-12H2,1-2H3,(H,18,24)
InChIKeyREBZJILDRHTPBP-UHFFFAOYSA-N
XLogP0.59
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-propyl-N-[2-(1,2,4-triazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of 8-methyl-2-propyl-N-[2-(1,2,4-triazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 56906912) is 8-methyl-2-propyl-N-[2-(1,2,4-triazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for 8-methyl-2-propyl-N-[2-(1,2,4-triazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for 8-methyl-2-propyl-N-[2-(1,2,4-triazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is CCCN1CC2(CCN(C)CC2)CC1C(=O)NCCn1cnnc1.
What is the InChIKey of 8-methyl-2-propyl-N-[2-(1,2,4-triazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is REBZJILDRHTPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6O/c1-3-7-23-12-17(4-8-21(2)9-5-17)11-15(23)16(24)18-6-10-22-13-19-20-14-22/h13-15H,3-12H2,1-2H3,(H,18,24).
What are the key properties of 8-methyl-2-propyl-N-[2-(1,2,4-triazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
8-methyl-2-propyl-N-[2-(1,2,4-triazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 334.47 g/mol, XLogP of 0.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-propyl-N-[2-(1,2,4-triazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 56906912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).